7-[2-(2-aminothiazol-4-yl)-2-(2-aminoethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid dihydrochloride

HCID 131715326
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Basic information

Standard SMILES
C=CCn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=NOCCN)c3csc(N)n3)[C@H]2SC1.Cl.Cl
InChIKey
OAKXKETYBIEBRN-OVGNOAHWSA-N
Molecular formula
C19H24Cl2N10O5S3
Average molar mass
639.6 g/mol

Names & identifiers

Preferred name
7-[2-(2-aminothiazol-4-yl)-2-(2-aminoethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid dihydrochloride
IUPAC
(6R)-7-[[2-(2-aminoethoxyimino)-2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-8-oxo-3-[(1-prop-2-enyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrochloride

Names & synonyms

OAKXKETYBIEBRN-OVGNOAHWSA-N7-[2-(2-aminothiazol-4-yl)-2-(2-aminoethoxyimino)acetamido]-3-(1-allyl-1H-tetrazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid dihydrochloride

Database identifiers

PubChem CID
131715326

Properties

Computed structural properties

Topological polar surface area
296 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
15
Rotatable bonds
12
Heavy atoms
39

Related reactions

1 records
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Compound notes

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